4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane

C8H9Cl2F3N2 — CID 177214328

IUPAC4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane
SMILESCC.Cc1c(Cl)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C6H3Cl2F3N2.C2H6/c1-2-3(7)12-5(6(9,10)11)13-4(2)8;1-2/h1H3;1-2H3
InChIKeyUSPPLUYXVDEHIN-UHFFFAOYSA-N
MW261.07 g/mol
LogP4.14
Rot. Bonds

About 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane

4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane (PubChem CID 177214328) has the molecular formula C8H9Cl2F3N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane
PubChem CID177214328
Molecular FormulaC8H9Cl2F3N2
Molecular Weight261.07 g/mol
Exact Mass260.01
IUPAC Name4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane
SMILESCC.Cc1c(Cl)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C6H3Cl2F3N2.C2H6/c1-2-3(7)12-5(6(9,10)11)13-4(2)8;1-2/h1H3;1-2H3
InChIKeyUSPPLUYXVDEHIN-UHFFFAOYSA-N
XLogP4.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane?
The IUPAC name of 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane (CID 177214328) is 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane is CC.Cc1c(Cl)nc(C(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane?
The InChIKey is USPPLUYXVDEHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2.C2H6/c1-2-3(7)12-5(6(9,10)11)13-4(2)8;1-2/h1H3;1-2H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane?
4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane has a molecular weight of 261.07 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine;ethane is sourced from PubChem (CID 177214328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).